REMARK Name = BDB022710 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.460 -2.088 -1.790 0.00 0.00 +0.139 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 3.264 -1.284 -2.152 0.00 0.00 +0.034 A ATOM 3 C LIG 1 2.009 -1.569 -1.597 0.00 0.00 +0.028 A ATOM 4 C LIG 1 0.889 -1.808 -2.412 0.00 0.00 -0.029 A ATOM 5 C LIG 1 1.035 -1.743 -3.802 0.00 0.00 +0.005 A ATOM 6 C LIG 1 2.281 -1.463 -4.361 0.00 0.00 +0.002 A ATOM 7 C LIG 1 3.390 -1.237 -3.540 0.00 0.00 +0.023 A BRANCH 2 9 ATOM 8 C LIG 1 5.646 -0.761 -1.558 0.00 0.00 +0.220 C ATOM 9 N LIG 1 4.327 -1.060 -1.252 0.00 0.00 -0.285 N ATOM 10 H LIG 1 4.090 -1.123 -0.271 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 6.115 -0.624 -2.682 0.00 0.00 -0.275 OA BRANCH 8 14 ATOM 12 C LIG 1 8.760 0.192 0.598 0.00 0.00 +0.074 C ATOM 13 C LIG 1 7.915 -0.091 -0.654 0.00 0.00 +0.035 C ATOM 14 C LIG 1 6.507 -0.588 -0.301 0.00 0.00 +0.077 C ATOM 15 C LIG 1 6.569 -1.899 0.505 0.00 0.00 +0.013 C ATOM 16 C LIG 1 7.876 -2.084 1.278 0.00 0.00 +0.003 C ATOM 17 C LIG 1 8.424 -0.751 1.767 0.00 0.00 +0.022 C BRANCH 12 19 ATOM 18 C LIG 1 9.547 2.195 1.810 0.00 0.00 +0.237 C ATOM 19 N LIG 1 8.617 1.583 1.009 0.00 0.00 -0.309 N ATOM 20 H LIG 1 7.722 2.035 0.883 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 10.570 1.662 2.221 0.00 0.00 -0.271 OA BRANCH 18 23 ATOM 22 C LIG 1 8.457 4.440 1.540 0.00 0.00 +0.013 C ATOM 23 C LIG 1 9.210 3.577 2.236 0.00 0.00 +0.059 C ENDBRANCH 18 23 ENDBRANCH 12 19 ENDBRANCH 8 14 ENDBRANCH 2 9 ENDBRANCH 1 4 BRANCH 1 24 ATOM 24 N LIG 1 -1.031 -0.844 -1.323 0.00 0.00 -0.309 N ATOM 25 H LIG 1 -0.666 -0.012 -1.777 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -2.319 -0.672 -0.864 0.00 0.00 +0.223 A ATOM 27 N LIG 1 -3.129 -1.730 -0.402 0.00 0.00 -0.183 N ATOM 28 C LIG 1 -4.405 -1.490 0.043 0.00 0.00 +0.168 A ATOM 29 C LIG 1 -4.917 -2.716 0.417 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -3.860 -3.624 0.151 0.00 0.00 +0.141 A ATOM 31 N LIG 1 -4.901 -0.226 0.046 0.00 0.00 -0.175 NA ATOM 32 C LIG 1 -4.104 0.703 -0.390 0.00 0.00 +0.323 A ATOM 33 N LIG 1 -2.772 -3.033 -0.352 0.00 0.00 -0.170 NA ATOM 34 N LIG 1 -2.821 0.534 -0.853 0.00 0.00 -0.161 NA BRANCH 29 35 ATOM 35 C LIG 1 -6.277 -3.005 0.978 0.00 0.00 +0.018 C ATOM 36 C LIG 1 -7.056 -3.985 0.098 0.00 0.00 +0.012 C ATOM 37 C LIG 1 -6.194 -3.523 2.415 0.00 0.00 +0.012 C ENDBRANCH 29 35 BRANCH 32 38 ATOM 38 O LIG 1 -4.460 2.009 -0.441 0.00 0.00 -0.459 OA BRANCH 38 39 ATOM 39 C LIG 1 -5.776 2.378 0.018 0.00 0.00 +0.179 C ATOM 40 C LIG 1 -6.157 3.700 -0.661 0.00 0.00 +0.060 C ATOM 41 C LIG 1 -6.784 4.702 0.310 0.00 0.00 +0.087 C ATOM 42 N LIG 1 -7.731 4.109 1.256 0.00 0.00 -0.305 NA ATOM 43 C LIG 1 -9.001 3.761 0.625 0.00 0.00 +0.104 C ATOM 44 C LIG 1 -7.165 2.981 2.013 0.00 0.00 +0.087 C ATOM 45 C LIG 1 -5.787 2.519 1.538 0.00 0.00 +0.060 C ENDBRANCH 38 39 ENDBRANCH 32 38 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 10